cyclopropanecarboxylic acid;propyl propanoate

C10H18O4 — CID 162163858

IUPACcyclopropanecarboxylic acid;propyl propanoate
SMILESCCCOC(=O)CC.O=C(O)C1CC1
InChIInChI=1S/C6H12O2.C4H6O2/c1-3-5-8-6(7)4-2;5-4(6)3-1-2-3/h3-5H2,1-2H3;3H,1-2H2,(H,5,6)
InChIKeyZMVXVXYJRSLRDH-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.83
Rot. Bonds4

About cyclopropanecarboxylic acid;propyl propanoate

cyclopropanecarboxylic acid;propyl propanoate (PubChem CID 162163858) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is cyclopropanecarboxylic acid;propyl propanoate.

Molecular Properties

Compound Namecyclopropanecarboxylic acid;propyl propanoate
PubChem CID162163858
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namecyclopropanecarboxylic acid;propyl propanoate
SMILESCCCOC(=O)CC.O=C(O)C1CC1
InChIInChI=1S/C6H12O2.C4H6O2/c1-3-5-8-6(7)4-2;5-4(6)3-1-2-3/h3-5H2,1-2H3;3H,1-2H2,(H,5,6)
InChIKeyZMVXVXYJRSLRDH-UHFFFAOYSA-N
XLogP1.83
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclopropanecarboxylic acid;propyl propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(4-butoxycarbonylcyclohexanecarbonyl)oxybutoxycarbonyl]cyclohexane-1-carboxylic acid
CID 118066352
cyclohexane-1,4-dicarboxylic acid;octane
CID 174889638
chloroethene;propyl propanoate
CID 174975426
4-hexoxycarbonylcyclohexane-1-carboxylic acid
CID 66983917
4-heptoxycarbonylcyclohexane-1-carboxylic acid
CID 66984396
4-tridecoxycarbonylcyclohexane-1-carboxylic acid
CID 141262604
2-[2-(2-propoxyethoxy)ethoxy]ethyl propanoate
CID 87832523
cyclopropanecarboxylic acid;decan-1-amine
CID 157428816
propyl 4-hydroxycyclohexane-1-carboxylate
CID 71338866
trans-(1R,2R)-2-(5-propanoyloxypentyl)cyclohexane-1-carboxylic acid
CID 177308451
2-hydroxyethyl propanoate;propanoic acid
CID 175568032
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610

Frequently Asked Questions

What is the IUPAC name of cyclopropanecarboxylic acid;propyl propanoate?
The IUPAC name of cyclopropanecarboxylic acid;propyl propanoate (CID 162163858) is cyclopropanecarboxylic acid;propyl propanoate.
What is the SMILES notation for cyclopropanecarboxylic acid;propyl propanoate?
The canonical SMILES for cyclopropanecarboxylic acid;propyl propanoate is CCCOC(=O)CC.O=C(O)C1CC1.
What is the InChIKey of cyclopropanecarboxylic acid;propyl propanoate?
The InChIKey is ZMVXVXYJRSLRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C4H6O2/c1-3-5-8-6(7)4-2;5-4(6)3-1-2-3/h3-5H2,1-2H3;3H,1-2H2,(H,5,6).
What are the key properties of cyclopropanecarboxylic acid;propyl propanoate?
cyclopropanecarboxylic acid;propyl propanoate has a molecular weight of 202.25 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanecarboxylic acid;propyl propanoate is sourced from PubChem (CID 162163858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).